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Ethyl 2,4-dioxovalerate

CAT: 0286-E07796-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-E07796-02Size:25 g
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CAS Number
615-79-2
Synonyms
Ethyl acetonoxalate; Acetopyruvic acid ethyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009124
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Ethyl 2,4-dioxovalerate
CAS Number615-79-2
PubChem CID69208
IUPAC Nameethyl 2,4-dioxopentanoate
Molecular FormulaC7H10O4
Molecular Weight158.15
XLogP0.2
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
CCOC(=O)C(=O)CC(=O)C
InChI
InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
InChIKey
OYQVQWIASIXXRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2,4-dioxovalerate
CAS: 615-79-2
CID: 69208
Formula: C7H10O4
MW: 158.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.15
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass158.05790880
Monoisotopic Mass158.05790880
Topological Polar Surface Area60.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-E916965-10GEthyl 2,4-Dioxovalerate
OR1068962-01Ethyl 2-ethyl-4-oxocyclopentanecarboxylate
OR1089356-01Ethyl 4-ethyl-2-formylbenzoate
E8604-80Ethyl 2-Cyano-4,4-diethoxybutyrate (Ethyl 2,2-Diethoxyethylcyanoacetate)
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